Detailed information for compound 455013

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.455 | Formula: C22H27NO3
  • H donors: 2 H acceptors: 2 LogP: 3.6 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CNC(C)(C)C)COc1cccc(c1)/C=C/C(=O)c1ccccc1
  • InChi: 1S/C22H27NO3/c1-22(2,3)23-15-19(24)16-26-20-11-7-8-17(14-20)12-13-21(25)18-9-5-4-6-10-18/h4-14,19,23-24H,15-16H2,1-3H3/b13-12+
  • InChiKey: DKJWGVYCWYLIBZ-OUKQBFOZSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0039 0.0801 0.4229
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0487 0.152
Loa Loa (eye worm) hypothetical protein 0.0121 0.3198 0.4477
Toxoplasma gondii NAC domain-containing protein 0.0039 0.0801 0.116
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.3523 0.4933
Onchocerca volvulus Putative endochitinase 0.0085 0.2161 0.6759
Loa Loa (eye worm) hypothetical protein 0.0065 0.1567 0.2194
Brugia malayi Glycosyl hydrolases family 18 protein 0.0011 0.0001 0.0001
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0256 0.7142 1
Schistosoma mansoni transcription factor btf3 0.0039 0.0801 0.0801
Brugia malayi hypothetical protein 0.0011 0.0001 0.0001
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0801 1
Loa Loa (eye worm) ICD-1 protein 0.0039 0.0801 0.1122
Brugia malayi endochitinase 0.0085 0.2161 0.3026
Schistosoma mansoni hypothetical protein 0.0354 1 1
Brugia malayi MH2 domain containing protein 0.0132 0.3523 0.4933
Onchocerca volvulus Putative chitinase 0.0011 0.0001 0.0003
Mycobacterium tuberculosis Possible chitinase 0.0065 0.1567 0.5
Onchocerca volvulus 0.0121 0.3198 1
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0121 0.3198 0.3198
Plasmodium falciparum basic transcription factor 3b, putative 0.0039 0.0801 0.2504
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0801 1
Loa Loa (eye worm) glycosyl hydrolase family 18 protein 0.0011 0.0001 0.0001
Echinococcus multilocularis geminin 0.0354 1 1
Echinococcus multilocularis Glycoside hydrolase, chitinase domain containing protein 1 0.0011 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0012 0.0039 0.0039
Echinococcus multilocularis transcription factor btf3 0.0039 0.0801 0.0801
Loa Loa (eye worm) cuticular endochitinase 0.0076 0.1894 0.2651
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.3523 0.4933
Plasmodium vivax basic transcription factor 3b, putative 0.0039 0.0801 0.2504
Toxoplasma gondii hypothetical protein 0.0121 0.3198 1
Leishmania major chitinase 0.0076 0.1894 1
Brugia malayi Endochitinase 0.0011 0.0001 0.0001
Entamoeba histolytica transcription factor BTF3, putative 0.0039 0.0801 0.4229
Onchocerca volvulus Putative endochitinase 0.0085 0.2161 0.6759
Loa Loa (eye worm) hypothetical protein 0.0121 0.3198 0.4477
Onchocerca volvulus 0.0121 0.3198 1
Brugia malayi hypothetical protein 0.0028 0.0487 0.0682
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0487 0.152
Schistosoma mansoni hypothetical protein 0.0022 0.0304 0.0304
Onchocerca volvulus Putative endochitinase 0.0085 0.2161 0.6759
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0039 0.0039
Schistosoma mansoni hypothetical protein 0.0354 1 1
Mycobacterium ulcerans chitinase/cellulase 0.0065 0.1567 1
Echinococcus granulosus Glycoside hydrolase chitinase domain containing protein 1 0.0011 0.0001 0.0001
Brugia malayi hypothetical protein 0.0018 0.0199 0.0278
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0121 0.3198 0.4477
Brugia malayi endochitinase 0.0076 0.1894 0.2651
Mycobacterium ulcerans chitinase/cellulase 0.0065 0.1567 1
Brugia malayi hypothetical protein 0.0011 0.0001 0.0001
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0801 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0001
Brugia malayi beta-NAC-like protein 0.0039 0.0801 0.1122
Onchocerca volvulus Putative endochitinase 0.0076 0.1894 0.5922
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0001
Brugia malayi follicle stimulating hormone receptor 0.0256 0.7142 1
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0121 0.3198 0.3198
Loa Loa (eye worm) chitinase I 0.0076 0.1894 0.2651
Onchocerca volvulus Putative endochitinase 0.0076 0.1894 0.5922
Trypanosoma brucei transcription factor BTF3, putative 0.0039 0.0801 1
Brugia malayi Endochitinase 0.0085 0.2161 0.3026
Onchocerca volvulus Putative endochitinase 0.0011 0.0001 0.0003
Leishmania major basic transcription factor 3a, putative 0.0039 0.0801 0.2236
Schistosoma mansoni chitinase 0.0011 0.0001 0.0001
Brugia malayi Glycosyl hydrolases family 18 protein 0.0011 0.0001 0.0001
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0039 0.0039
Schistosoma mansoni hypothetical protein 0.0121 0.3198 0.3198
Loa Loa (eye worm) microfilarial chitinase 0.0074 0.1834 0.2568
Trypanosoma cruzi transcription factor btf3, putative 0.0039 0.0801 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0487 0.152
Echinococcus granulosus transcription factor btf3 0.0039 0.0801 0.0801
Loa Loa (eye worm) hypothetical protein 0.0028 0.0487 0.0682
Plasmodium falciparum conserved protein, unknown function 0.0121 0.3198 1
Plasmodium vivax hypothetical protein, conserved 0.0121 0.3198 1
Trypanosoma cruzi transcription factor btf3, putative 0.0039 0.0801 1
Entamoeba histolytica chitinase, putative 0.0076 0.1894 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 10.6 % Antihyperglycemic activity in streptozotocin induced diabetic model of Sprague-Dawley albino rat assessed as reduction in blood glucose by AUC method ChEMBL. 17095211
Activity (functional) = 21.7 % Antihyperglycemic activity in sucrose loaded model of Sprague-Dawley albino rat assessed as reduction in blood glucose by AUC method ChEMBL. 17095211

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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